CID 17837213

1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylbenzene

Structural Information

Molecular Formula
C10H7F7
SMILES
CC1=CC=CC=C1C(C(F)(F)F)(C(F)(F)F)F
InChI
InChI=1S/C10H7F7/c1-6-4-2-3-5-7(6)8(11,9(12,13)14)10(15,16)17/h2-5H,1H3
InChIKey
VSGMOFFVOMMCGS-UHFFFAOYSA-N
Compound name
1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

260.0436 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.05088 174.1
[M+Na]+ 283.03282 178.2
[M+NH4]+ 278.07742 175.8
[M+K]+ 299.00676 174.1
[M-H]- 259.03632 167.2
[M+Na-2H]- 281.01827 174.1
[M]+ 260.04305 172.5
[M]- 260.04415 172.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe